1KLX

Helicobacter pylori cysteine rich protein B (hcpB)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Wavelength(s)	0.9791, 0.9794, 0.8856
Spacegroup name	P 65 2 2
Unit cell lengths	51.360, 51.360, 205.941
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.950
R-factor	0.19232
Rwork	0.187
R-free	0.23840 *
Structure solution method	MAD
RMSD bond length	0.040
RMSD bond angle	2.438
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.001
High resolution limit [Å]	1.950	1.950
Rmerge	0.054 *
Number of reflections	12049
Completeness [%]	99.8 *	49.8 *
Redundancy	9.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5 *	20 *	PEG 8000, sodium citrate, pH 3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	5.5 *	20 *	PEG 8000, sodium citrate, pH 3, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.4 (mg/ml)
2	1	drop	sodium acetate	40 (mM)
3	1	drop	EDTA	1 (mM)	pH5.5
4	1	reservoir	PEG8000	25 (%)
5	1	reservoir	sodium citrate	0.1 (M)	pH3.0